N-(4-benzo[g]phenanthren-3-ylphenyl)-N,2-bis(4-phenylphenyl)aniline

C54H37N — CID 167183106

IUPACN-(4-benzo[g]phenanthren-3-ylphenyl)-N,2-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(ccc6ccc7ccccc7c65)c4)cc3)cc2)cc1
InChIInChI=1S/C54H37N/c1-3-11-38(12-4-1)40-19-21-44(22-20-40)50-16-9-10-18-53(50)55(48-32-27-41(28-33-48)39-13-5-2-6-14-39)49-34-29-42(30-35-49)46-31-36-52-47(37-46)26-25-45-24-23-43-15-7-8-17-51(43)54(45)52/h1-37H
InChIKeyNAYWJTKOJPRPOR-UHFFFAOYSA-N
MW699.90 g/mol
LogP15.28
Rot. Bonds7

About N-(4-benzo[g]phenanthren-3-ylphenyl)-N,2-bis(4-phenylphenyl)aniline

N-(4-benzo[g]phenanthren-3-ylphenyl)-N,2-bis(4-phenylphenyl)aniline (PubChem CID 167183106) has the molecular formula C54H37N and a molecular weight of 699.90 g/mol. Its IUPAC name is N-(4-benzo[g]phenanthren-3-ylphenyl)-N,2-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-benzo[g]phenanthren-3-ylphenyl)-N,2-bis(4-phenylphenyl)aniline
PubChem CID167183106
Molecular FormulaC54H37N
Molecular Weight699.90 g/mol
Exact Mass699.29
IUPAC NameN-(4-benzo[g]phenanthren-3-ylphenyl)-N,2-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(ccc6ccc7ccccc7c65)c4)cc3)cc2)cc1
InChIInChI=1S/C54H37N/c1-3-11-38(12-4-1)40-19-21-44(22-20-40)50-16-9-10-18-53(50)55(48-32-27-41(28-33-48)39-13-5-2-6-14-39)49-34-29-42(30-35-49)46-31-36-52-47(37-46)26-25-45-24-23-43-15-7-8-17-51(43)54(45)52/h1-37H
InChIKeyNAYWJTKOJPRPOR-UHFFFAOYSA-N
XLogP15.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.90
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-N,N-bis(4-phenylphenyl)aniline
CID 177100332
N-[3-(3-benzo[g]phenanthren-3-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 167183896
2-benzo[c]phenanthren-2-yl-4-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 167183799
N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-2-phenylaniline;prop-1-ene
CID 145242715
N-(4-chrysen-2-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine
CID 170136320
N-[4-(4-benzo[c]phenanthren-5-ylphenyl)phenyl]-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 167182064
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-2-phenylaniline
CID 167183418
N-(4-chrysen-2-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline
CID 170136262
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-2-phenylaniline
CID 167182916
N-[4-(3-chrysen-1-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 170142122
2-(4-chrysen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 170675794
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 167182926

Frequently Asked Questions

What is the IUPAC name of N-(4-benzo[g]phenanthren-3-ylphenyl)-N,2-bis(4-phenylphenyl)aniline?
The IUPAC name of N-(4-benzo[g]phenanthren-3-ylphenyl)-N,2-bis(4-phenylphenyl)aniline (CID 167183106) is N-(4-benzo[g]phenanthren-3-ylphenyl)-N,2-bis(4-phenylphenyl)aniline.
What is the SMILES notation for N-(4-benzo[g]phenanthren-3-ylphenyl)-N,2-bis(4-phenylphenyl)aniline?
The canonical SMILES for N-(4-benzo[g]phenanthren-3-ylphenyl)-N,2-bis(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(ccc6ccc7ccccc7c65)c4)cc3)cc2)cc1.
What is the InChIKey of N-(4-benzo[g]phenanthren-3-ylphenyl)-N,2-bis(4-phenylphenyl)aniline?
The InChIKey is NAYWJTKOJPRPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N/c1-3-11-38(12-4-1)40-19-21-44(22-20-40)50-16-9-10-18-53(50)55(48-32-27-41(28-33-48)39-13-5-2-6-14-39)49-34-29-42(30-35-49)46-31-36-52-47(37-46)26-25-45-24-23-43-15-7-8-17-51(43)54(45)52/h1-37H.
What are the key properties of N-(4-benzo[g]phenanthren-3-ylphenyl)-N,2-bis(4-phenylphenyl)aniline?
N-(4-benzo[g]phenanthren-3-ylphenyl)-N,2-bis(4-phenylphenyl)aniline has a molecular weight of 699.90 g/mol, XLogP of 15.28, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzo[g]phenanthren-3-ylphenyl)-N,2-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 167183106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).